7-[4-(2-methylidenepyrrolidin-1-yl)piperidine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one

C22H23N5O2S — CID 137217270

IUPAC7-[4-(2-methylidenepyrrolidin-1-yl)piperidine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESC=C1CCCN1C1CCN(C(=O)c2csc3c(=O)[nH]c(-c4ccccn4)nc23)CC1
InChIInChI=1S/C22H23N5O2S/c1-14-5-4-10-27(14)15-7-11-26(12-8-15)22(29)16-13-30-19-18(16)24-20(25-21(19)28)17-6-2-3-9-23-17/h2-3,6,9,13,15H,1,4-5,7-8,10-12H2,(H,24,25,28)
InChIKeyGNLXKRAXGOZIPE-UHFFFAOYSA-N
MW421.53 g/mol
LogP3.26
Rot. Bonds3

About 7-[4-(2-methylidenepyrrolidin-1-yl)piperidine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one

7-[4-(2-methylidenepyrrolidin-1-yl)piperidine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 137217270) has the molecular formula C22H23N5O2S and a molecular weight of 421.53 g/mol. Its IUPAC name is 7-[4-(2-methylidenepyrrolidin-1-yl)piperidine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-[4-(2-methylidenepyrrolidin-1-yl)piperidine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID137217270
Molecular FormulaC22H23N5O2S
Molecular Weight421.53 g/mol
Exact Mass421.16
IUPAC Name7-[4-(2-methylidenepyrrolidin-1-yl)piperidine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESC=C1CCCN1C1CCN(C(=O)c2csc3c(=O)[nH]c(-c4ccccn4)nc23)CC1
InChIInChI=1S/C22H23N5O2S/c1-14-5-4-10-27(14)15-7-11-26(12-8-15)22(29)16-13-30-19-18(16)24-20(25-21(19)28)17-6-2-3-9-23-17/h2-3,6,9,13,15H,1,4-5,7-8,10-12H2,(H,24,25,28)
InChIKeyGNLXKRAXGOZIPE-UHFFFAOYSA-N
XLogP3.26
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.53
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[4-(2-methylidenepyrrolidin-1-yl)piperidine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 7-[4-(2-methylidenepyrrolidin-1-yl)piperidine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one (CID 137217270) is 7-[4-(2-methylidenepyrrolidin-1-yl)piperidine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 7-[4-(2-methylidenepyrrolidin-1-yl)piperidine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 7-[4-(2-methylidenepyrrolidin-1-yl)piperidine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one is C=C1CCCN1C1CCN(C(=O)c2csc3c(=O)[nH]c(-c4ccccn4)nc23)CC1.
What is the InChIKey of 7-[4-(2-methylidenepyrrolidin-1-yl)piperidine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is GNLXKRAXGOZIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2S/c1-14-5-4-10-27(14)15-7-11-26(12-8-15)22(29)16-13-30-19-18(16)24-20(25-21(19)28)17-6-2-3-9-23-17/h2-3,6,9,13,15H,1,4-5,7-8,10-12H2,(H,24,25,28).
What are the key properties of 7-[4-(2-methylidenepyrrolidin-1-yl)piperidine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
7-[4-(2-methylidenepyrrolidin-1-yl)piperidine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 421.53 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(2-methylidenepyrrolidin-1-yl)piperidine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 137217270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).